5vr9

CH1/Ckappa Fab based on Matuzumab

Method: X-RAY DIFFRACTION Dmax: 98.4 Å Quality: EXCELLENT

1. Protein Identity and Related Structures Protein Identity & Related Structures

CH1/Ckappa Fab heavy chain

Homo sapiens

UniProt Q6GMX6

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 122–238 Not recorded CH1/Ckappa Fab light chain × 1 (Q7Z3Y4) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication for details Resolution 2.15 Å R-free 0.244
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain H; UniProt 122–238 Not recorded CH1/Ckappa Fab light chain × 1 (Q7Z3Y4) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication for details Resolution 2.15 Å R-free 0.244

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

18 other PDB entries and 33 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q6GMX6_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 108–224; UniProt 122–238 Author chain H; PDBConstruct 108–224; UniProt 122–238

CH1/Ckappa Fab light chain

Homo sapiens

UniProt Q7Z3Y4

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 130–235 Not recorded CH1/Ckappa Fab heavy chain × 1 (Q6GMX6) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication for details Resolution 2.15 Å R-free 0.244
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain L; UniProt 130–235 Not recorded CH1/Ckappa Fab heavy chain × 1 (Q6GMX6) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;294 K;see publication for details Resolution 2.15 Å R-free 0.244

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

15 other PDB entries and 16 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q7Z3Y4_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 107–212; UniProt 130–235 Author chain L; PDBConstruct 107–212; UniProt 130–235

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 5vr9

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5vr9
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id5vr9
Deposition date deposition_date2017-05-10
Structure title titleCH1/Ckappa Fab based on Matuzumab
Keywords keywordsbispecific antibody, computational design, heavy chain/light chain interface, CH1/Ckappa interface, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier31.73
Radius of gyration Rg (electron density) rg_electron30.70
Forward intensity I(0) i0140573000.00
Molecular weight molecular_weight91684.0 kDa
Excluded volume excluded_volume113600 ų
Envelope volume envelope_volume151240 ų
Hydration-shell volume shell_volume40939 ų
Envelope diameter envelope_diameter102.5
Shell Rg shell_rg38.28
Envelope Rg envelope_rg30.18
Shape Rg shape_rg30.71
Total Rg total_rg31.35
Total atoms total_atoms6462
Residues n_residues868
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax98.4
Rg (real space) rg_real31.58
Rg uncertainty (real space) rg_real_error0.58
I(0) (real space) i0_real1.4060e+08
I(0) uncertainty (real space) i0_real_error2.0000e+06
Rg (reciprocal space) rg_reciprocal31.65
I(0) (reciprocal space) i0_reciprocal140600000.0000
Solution quality estimate total_estimate0.9107
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary41.3
Skewness Skewness skewness0.136
Kurtosis Kurtosis kurtosis-0.582
Angular range angular_range— – 0.2500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha21550000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.966

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd5vr9b1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.0 — automated matches
Domain ID domain_idd5vr9b2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd5vr9l1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.0 — automated matches
Domain ID domain_idd5vr9l2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (6 domains)

Domain ID domain_id5vr9A02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vr9B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vr9B02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vr9H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vr9L01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id5vr9L02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)